1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine

C24H31Cl2N3 — CID 127030249

IUPAC1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine
SMILESClc1ccc(N2CCN(CCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C24H31Cl2N3/c25-22-6-7-24(23(26)19-22)29-16-14-28(15-17-29)13-12-27-10-8-21(9-11-27)18-20-4-2-1-3-5-20/h1-7,19,21H,8-18H2
InChIKeyMTKDKDCUGVFMTR-UHFFFAOYSA-N
MW432.44 g/mol
LogP5.07
Rot. Bonds6

About 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine

1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine (PubChem CID 127030249) has the molecular formula C24H31Cl2N3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine
PubChem CID127030249
Molecular FormulaC24H31Cl2N3
Molecular Weight432.44 g/mol
Exact Mass431.19
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine
SMILESClc1ccc(N2CCN(CCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C24H31Cl2N3/c25-22-6-7-24(23(26)19-22)29-16-14-28(15-17-29)13-12-27-10-8-21(9-11-27)18-20-4-2-1-3-5-20/h1-7,19,21H,8-18H2
InChIKeyMTKDKDCUGVFMTR-UHFFFAOYSA-N
XLogP5.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine (CID 127030249) is 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine is Clc1ccc(N2CCN(CCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine?
The InChIKey is MTKDKDCUGVFMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N3/c25-22-6-7-24(23(26)19-22)29-16-14-28(15-17-29)13-12-27-10-8-21(9-11-27)18-20-4-2-1-3-5-20/h1-7,19,21H,8-18H2.
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine?
1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine has a molecular weight of 432.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine is sourced from PubChem (CID 127030249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).